N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

C8H17N3 — CID 130513028

IUPACN-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCCNC1=NCC(C)(C)CN1
InChIInChI=1S/C8H17N3/c1-4-9-7-10-5-8(2,3)6-11-7/h4-6H2,1-3H3,(H2,9,10,11)
InChIKeyJRAAMOGZTOYWJZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.58
Rot. Bonds1

About N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine (PubChem CID 130513028) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
PubChem CID130513028
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCCNC1=NCC(C)(C)CN1
InChIInChI=1S/C8H17N3/c1-4-9-7-10-5-8(2,3)6-11-7/h4-6H2,1-3H3,(H2,9,10,11)
InChIKeyJRAAMOGZTOYWJZ-UHFFFAOYSA-N
XLogP0.58
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The IUPAC name of N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine (CID 130513028) is N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine is CCNC1=NCC(C)(C)CN1.
What is the InChIKey of N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The InChIKey is JRAAMOGZTOYWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-9-7-10-5-8(2,3)6-11-7/h4-6H2,1-3H3,(H2,9,10,11).
What are the key properties of N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine has a molecular weight of 155.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine is sourced from PubChem (CID 130513028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).